6-[ethyl(phenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide

C26H25N3O4S — CID 3619181

IUPAC6-[ethyl(phenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCc3ccc(C)cc3)c(=O)c2c1
InChIInChI=1S/C26H25N3O4S/c1-3-29(20-7-5-4-6-8-20)34(32,33)21-13-14-24-22(15-21)25(30)23(17-27-24)26(31)28-16-19-11-9-18(2)10-12-19/h4-15,17H,3,16H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyALQOTZHISVCGAW-UHFFFAOYSA-N
MW475.57 g/mol
LogP3.98
Rot. Bonds7

About 6-[ethyl(phenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide

6-[ethyl(phenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 3619181) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is 6-[ethyl(phenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-[ethyl(phenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID3619181
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC Name6-[ethyl(phenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCc3ccc(C)cc3)c(=O)c2c1
InChIInChI=1S/C26H25N3O4S/c1-3-29(20-7-5-4-6-8-20)34(32,33)21-13-14-24-22(15-21)25(30)23(17-27-24)26(31)28-16-19-11-9-18(2)10-12-19/h4-15,17H,3,16H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyALQOTZHISVCGAW-UHFFFAOYSA-N
XLogP3.98
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(phenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-[ethyl(phenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide (CID 3619181) is 6-[ethyl(phenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-[ethyl(phenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-[ethyl(phenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide is CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCc3ccc(C)cc3)c(=O)c2c1.
What is the InChIKey of 6-[ethyl(phenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is ALQOTZHISVCGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-3-29(20-7-5-4-6-8-20)34(32,33)21-13-14-24-22(15-21)25(30)23(17-27-24)26(31)28-16-19-11-9-18(2)10-12-19/h4-15,17H,3,16H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 6-[ethyl(phenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
6-[ethyl(phenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 475.57 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(phenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3619181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).